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5,7-DIMETHOXY-8-(3-METHYL-2-OXO-BUTYL)-COUMARIN

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5,7-DIMETHOXY-8-(3-METHYL-2-OXO-BUTYL)-COUMARIN
SpectraBase Compound ID BHQFNl60HaT
InChI InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8-9H,7H2,1-4H3
InChIKey ISXFUPHLGNGMIC-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cSnwP1CSZ8
Name Isosibiricin
CAS Registry Number 18333-27-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8-9H,7H2,1-4H3
InChIKey ISXFUPHLGNGMIC-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference F.A. Macias, G.M. Massanet, F. Rodriguez-Luis, Magn. Res. Chem. 27, 892 (1989).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3